Re: [AMBER] How to read netcdf files on VMD Windows version?

From: Carlos Simmerling <carlos.simmerling.gmail.com>
Date: Mon, 14 Mar 2022 14:44:38 -0400

trajin the netcdf, and then give a command trajout. More details are in the
cpptraj manual. The flags will let you reduce the number of frames by
skipping some, and set the format (you probably want "Amber trajectory",
which you can also get by default if you use .crd at the end of the file
name).
https://amberhub.chpc.utah.edu/trajout/


On Mon, Mar 14, 2022 at 2:26 PM Suchetana Gupta <tutulg.gmail.com> wrote:

> Hi
> Thanks for the response. While a virtual box is one option, it is probably
> a bit tedious. I would be more interested to know about the second option.
> Trajin with a .nc file. What do you mean by the ascii version for trajout?
> I tried reading the .cdf files using Amber7 Coordinates with Periodic box
> option, yet it returned error.
> Can you please help me with more details?
> Thanks
> Suchetana
>
>
> On Mon, Mar 14, 2022 at 4:43 AM Carlos Simmerling <
> carlos.simmerling.gmail.com> wrote:
>
> > You can use cpptraj on Linux to convert them to ascii versions using
> > trajin/trajout, and read those in windows.
> >
> > On Mon, Mar 14, 2022, 1:09 AM Suchetana Gupta <tutulg.gmail.com> wrote:
> >
> > > Hi
> > > I have been using VMD on a linux machine all along. However, now I do
> not
> > > have access to one for some reason. Now that I have installed VMD on
> > > Windows, I find that this version does not have an option to read .nc
> > files
> > > (netcdf).
> > > What is a possible solution?
> > > Thanks
> > > Suchetana Gupta
> > > University of Oregon
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Received on Mon Mar 14 2022 - 12:00:02 PDT
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